SCHEMBL5807724

SCHEMBL5807724

COc1ccc(Sc2ccc(C3=NCCN3)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 6/20 1.00
NISCH Q9Y2I1 8/20 0.82
KDM4E B2RXH2 1/20 0.56

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5803247 0.91 PTGIR (0.84) PTGIRNISCHKDM4E
SCHEMBL9575256 0.91 NISCH (1.00) PTGIRNISCHKDM4E
SCHEMBL14089880 0.81 NISCH (0.79) PTGIRNISCHKDM4E
SCHEMBL26122325 0.78 NISCH (0.76) PTGIRNISCHKDM4E
SCHEMBL1288672 0.77 NISCH (1.00) PTGIRNISCH
SCHEMBL5476725 0.76 NISCH (0.79) NISCH
SCHEMBL8202988 0.76 NISCH (0.71) PTGIRNISCHKDM4E
SCHEMBL8201402 0.76 NISCH (0.96) PTGIRNISCH
SCHEMBL5802923 0.75 PTGIR (1.00) PTGIR
SCHEMBL5803714 0.75 PTGIR (1.00) PTGIRNISCH

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1656350-A2 THIOPHENYLAMINOIMIDAZOLINES AS PROSTAGLANDIN I2 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2006-05-17 EP claimed
US-20050020648-A1 Thiophenylaminoimidazolines as IP antagonists ROCHE PALO ALTO LLC 2005-01-27 US claimed
WO-2005005394-A2 THIOPHENYLAMINOIMIDAZOLINES AS PROSTAGLANDIN I2 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2005-01-20 WO claimed
US-7078401-B2 Thiophenylaminoimidazolines as IP antagonists ROCHE PALO ALTO LLC (US) 2006-07-18 US disclosed
EP-1656350-A2 THIOPHENYLAMINOIMIDAZOLINES AS PROSTAGLANDIN I2 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2006-05-17 EP disclosed
US-20050020648-A1 Thiophenylaminoimidazolines as IP antagonists ROCHE PALO ALTO LLC 2005-01-27 US disclosed
WO-2005005394-A2 THIOPHENYLAMINOIMIDAZOLINES AS PROSTAGLANDIN I2 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2005-01-20 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050020648-A1 Thiophenylaminoimidazolines as IP antagonists TBXA2R, MRGPRX2, MRGPRX1 PTGIR 15/4885NISCH 3170/4885KDM4E 4684/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.